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Home > Nitro Compounds > 89985-57-9
89985-57-9 | Phenol, 2-[[[1-(2-hydroxyphenyl)ethyl]imino]methyl]-4-nitro-
CAS No: 89985-57-9 Catalog No: AG006MM6 MDL No:
Product Description
Catalog Number:
AG006MM6
Chemical Name:
Phenol, 2-[[[1-(2-hydroxyphenyl)ethyl]imino]methyl]-4-nitro-
CAS Number:
89985-57-9
Molecular Formula:
C15H14N2O4
Molecular Weight:
286.2827
IUPAC Name:
2-[1-(2-hydroxyphenyl)ethyliminomethyl]-4-nitrophenol
InChI:
InChI=1S/C15H14N2O4/c1-10(13-4-2-3-5-15(13)19)16-9-11-8-12(17(20)21)6-7-14(11)18/h2-10,18-19H,1H3
InChI Key:
QHYKCNRXSRHZOV-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C=NC(c1ccccc1O)C)[N+](=O)[O-]
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.287g/mol
Monoisotopic Mass:
286.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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